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Assay Detail

CHEMBL1645694

Review assay metadata, readout intent, target linkage, and publication context from the same page.

Binding
Inhibition of human recombinant CA1 by stopped-flow CO2 hydration assay
56
Total Activities
55
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Carbonic anhydrase 1 (CHEMBL261)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Carbonic anhydrase inhibitors. Inhibition studies with anions and sulfonamides of a new cytosolic enzyme from the scleractinian coral Stylophora pistillata.
Bertucci A, Innocenti A, Scozzafava A, Tambutté S, Zoccola D, Supuran CT.
Bioorg Med Chem Lett (2011) 21 : 710 -714
PubMed 21208801 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 56 5.68 8.22

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL268439 1 8.22
CHEMBL73962 BENZOLAMIDE 1 7.82
CHEMBL18 ETHOXZOLAMIDE 4.0 1 7.60
CHEMBL77517 INDISULAM 2.0 1 7.51
CHEMBL19 METHAZOLAMIDE 4.0 1 7.30
CHEMBL6919 1 7.26
CHEMBL750 ZONISAMIDE 4.0 1 7.25
CHEMBL6633 1 6.96
CHEMBL266026 1 6.79
CHEMBL7146 1 6.73
CHEMBL220492 TOPIRAMATE 4.0 1 6.60
CHEMBL20 ACETAZOLAMIDE 4.0 1 6.60
CHEMBL328560 SULTHIAME 3.0 1 6.43
CHEMBL183419 CYANIDE 1 6.30
CHEMBL1235452 SULFUR 4.0 1 6.22
CHEMBL1161700 CYANATE 1 6.16
CHEMBL186537 1 5.92
CHEMBL17 DICHLORPHENAMIDE 4.0 1 5.92
CHEMBL418 2,4-DISULFAMYLTRIFLUOROMETHYLANILINE 1 5.24
CHEMBL268177 1 5.22
CHEMBL6724 1 5.19
CHEMBL451332 1 5.17
CHEMBL266240 1 5.08
CHEMBL6853 1 5.08
CHEMBL265674 1 5.07
CHEMBL6753 1 5.03
CHEMBL7092 1 5.01
CHEMBL26 SULPIRIDE 3.0 1 4.92
CHEMBL310671 SACCHARIN 3.0 1 4.73
CHEMBL6784 1 4.68

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL268439 Ki = 6.0 nM 8.22
CHEMBL73962 BENZOLAMIDE Ki = 15.0 nM 7.82
CHEMBL18 ETHOXZOLAMIDE Ki = 25.0 nM 7.60
CHEMBL77517 INDISULAM Ki = 31.0 nM 7.51
CHEMBL19 METHAZOLAMIDE Ki = 50.0 nM 7.30
CHEMBL6919 Ki = 55.0 nM 7.26
CHEMBL750 ZONISAMIDE Ki = 56.0 nM 7.25
CHEMBL6633 Ki = 109.0 nM 6.96
CHEMBL266026 Ki = 164.0 nM 6.79
CHEMBL7146 Ki = 185.0 nM 6.73
CHEMBL20 ACETAZOLAMIDE Ki = 250.0 nM 6.60
CHEMBL220492 TOPIRAMATE Ki = 250.0 nM 6.60
CHEMBL328560 SULTHIAME Ki = 374.0 nM 6.43
CHEMBL183419 CYANIDE Ki = 500.0 nM 6.30
CHEMBL1235452 SULFUR Ki = 600.0 nM 6.22
CHEMBL1161700 CYANATE Ki = 700.0 nM 6.16
CHEMBL17 DICHLORPHENAMIDE Ki = 1200.0 nM 5.92
CHEMBL186537 Ki = 1200.0 nM 5.92
CHEMBL418 2,4-DISULFAMYLTRIFLUOROMETHYLANILINE Ki = 5800.0 nM 5.24
CHEMBL268177 Ki = 6000.0 nM 5.22
CHEMBL6724 Ki = 6500.0 nM 5.19
CHEMBL451332 Ki = 6690.0 nM 5.17
CHEMBL266240 Ki = 8400.0 nM 5.08
CHEMBL6853 Ki = 8300.0 nM 5.08
CHEMBL265674 Ki = 8600.0 nM 5.07
CHEMBL6753 Ki = 9300.0 nM 5.03
CHEMBL7092 Ki = 9800.0 nM 5.01
CHEMBL26 SULPIRIDE Ki = 12000.0 nM 4.92
CHEMBL310671 SACCHARIN Ki = 18540.0 nM 4.73
CHEMBL6784 Ki = 21000.0 nM 4.68
CHEMBL7087 Ki = 21000.0 nM 4.68
CHEMBL414 CARZENIDE Ki = 23000.0 nM 4.64
CHEMBL176495 Ki = 24000.0 nM 4.62
CHEMBL419 MAFENIDE Ki = 25000.0 nM 4.60
CHEMBL21 SULFANILAMIDE Ki = 25000.0 nM 4.60
CHEMBL220491 BRINZOLAMIDE Ki = 45000.0 nM 4.35
CHEMBL6705 Ki = 45400.0 nM 4.34
CHEMBL218490 DORZOLAMIDE Ki = 50000.0 nM 4.30
CHEMBL118 CELECOXIB Ki = 50000.0 nM 4.30
CHEMBL865 VALDECOXIB Ki = 54000.0 nM 4.27
CHEMBL574 P-TOLUENESULFONAMIDE Ki = 78500.0 nM 4.11
CHEMBL1161681 NITROUS ACID Ki = 8400000.0 nM -
CHEMBL1352 NITRIC ACID Ki = 7000000.0 nM -
CHEMBL1161632 BICARBONATE Ki = 15000000.0 nM -
CHEMBL1161632 BICARBONATE Ki = 12000000.0 nM -
CHEMBL572964 SULFURIC ACID Ki = 63000000.0 nM -
CHEMBL1161699 SULFUROUS ACID Ki = 18000000.0 nM -
CHEMBL355001 SULFAMIDE Ki = 0.31 nM -
CHEMBL84336 THIOCYANIC ACID Ki = 200000.0 nM -
CHEMBL1233550 IODIDE Ki = 300000.0 nM -